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4UFP
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BU of 4ufp by Molmil
Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1
分子名称: EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
4UFO
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BU of 4ufo by Molmil
Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1
分子名称: EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
分子名称: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
著者Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
4AOW
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BU of 4aow by Molmil
Crystal structure of the human Rack1 protein at a resolution of 2.45 angstrom
分子名称: GLYCEROL, GUANINE NUCLEOTIDE-BINDING PROTEIN SUBUNIT BETA-2-LIKE 1
著者Ruiz Carrillo, D, Chandrasekaran, R, Nilsson, M, Cornvick, T, Liew, C.W, Tan, S.M, Lescar, J.
登録日2012-03-30
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of Human Rack1 Protein at a Resolution of 2.45 A.
Acta Crystallogr.,Sect.F, 68, 2012
6GGH
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BU of 6ggh by Molmil
Human jak1 kinase domain in complex with inhibitor
分子名称: Tyrosine-protein kinase JAK1, ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
著者Read, J.A, Augustin, M, Lammens, A.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of local lung inflammation by a potent and selective JAK1 inhibitor; activation of JAK1, but not JAK3, is critical to IL-4R mediated immune cell signalling
To Be Published
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y, Hansson, S.K.
登録日2008-05-29
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
4V0Z
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BU of 4v0z by Molmil
o-nitrophenyl Cellobioside as an Active Site Probe for Family 7 Cellobiohydrolases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
著者Nutt, A, Momeni, M.H, Stahlberg, J.
登録日2014-09-19
公開日2015-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
著者Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
登録日2014-08-14
公開日2015-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UHB
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BU of 4uhb by Molmil
Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1
分子名称: 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL
著者Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M.
登録日2015-03-23
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
3P0L
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BU of 3p0l by Molmil
Human steroidogenic acute regulatory protein
分子名称: Steroidogenic acute regulatory protein, mitochondrial
著者Lehtio, L, Siponen, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-29
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
7NYT
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BU of 7nyt by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with lactose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-03-23
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
7OC8
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BU of 7oc8 by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with pNPL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-04-26
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
3FO5
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BU of 3fo5 by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11)
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van-Den-Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Shueler, H, Structural Genomics Consortium (SGC)
登録日2008-12-27
公開日2009-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3KEE
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BU of 3kee by Molmil
HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
分子名称: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ...
著者Lindberg, J.D, Nystrom, S, Cummings, M.D.
登録日2009-10-26
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
3KF2
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BU of 3kf2 by Molmil
The HCV NS3/NS4A protease apo structure
分子名称: 19-mer peptide from Genome polyprotein, Polyprotein, ZINC ION
著者Lindberg, J.D, Nystrom, S, Cummings, M.D.
登録日2009-10-27
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
2PZ9
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BU of 2pz9 by Molmil
Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
分子名称: Putative regulatory protein, SULFATE ION
著者Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2007-05-17
公開日2007-06-19
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
2UVL
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BU of 2uvl by Molmil
Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3)
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION
著者Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P.
登録日2007-03-12
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
4UFN
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BU of 4ufn by Molmil
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1
分子名称: 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
2PSO
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BU of 2pso by Molmil
Human StarD13 (DLC2) lipid transfer and protein localization domain
分子名称: StAR-related lipid transfer protein 13
著者Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-05-07
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
分子名称: StAR-related lipid transfer protein 5
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-09-03
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
2P0X
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BU of 2p0x by Molmil
solution structure of a non-biological ATP-binding protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ...
著者Mansy, S.S, Szostak, J.W, Chaput, J.C.
登録日2007-03-01
公開日2007-08-07
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein
J.Mol.Biol., 371, 2007
4AMM
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BU of 4amm by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
分子名称: CHLORIDE ION, DYNE8
著者Liew, C.W, Lescar, J.
登録日2012-03-13
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
4AMP
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BU of 4amp by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
分子名称: CHLORIDE ION, DYNE8, GLYCEROL, ...
著者Liew, C.W, Lescar, J.
登録日2012-03-13
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
4AMN
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Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
分子名称: CHLORIDE ION, DYNE8, GLYCEROL
著者Liew, C.W, Lescar, J.
登録日2012-03-13
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
4AMO
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Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
分子名称: ACETIC ACID, DYNE8
著者Liew, C.W, Lescar, J.
登録日2012-03-13
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012

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